AC1MQREB
2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-[(5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE|2-((4-Phenyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide|2-((5-(((4-METHYLPHENYL)SULFANYL)METHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(2-(TRIFLUOROMETHYL)PHENYL)ACETAMIDE|2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide|644-691-2
| Molecular Formula | C25H21F3N4OS2 |
|---|---|
| Molecular Weight | 514.1109 g/mol |
| LogP | 6.61762 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 514.1109 |
| Monoisotopic Mass | 514.1109 |
| Heavy Atoms | 35 |
| Complexity | 1292.3223 |
Chemical Identifiers
| CAS Number | 539809-29-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4C(F)(F)F |
Product Overview
AC1MQREB (CAS 539809-29-5), with molecular formula C25H21F3N4OS2 and molecular weight 514.1109 g/mol. IUPAC: 2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.